| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
JMJD1C-IN-1 targets JMJD1C (Jumonji domain-containing protein 1C), a histone demethylase involved in epigenetic regulation. JMJD1C plays a role in the regulation of gene expression through demethylation of histone H3K9. The compound's inhibition of JMJD1C targets tumor Treg cells without affecting systemic immune homeostasis. This selectivity makes JMJD1C-IN-1 a promising tool for cancer immunotherapy research.
|
|---|---|
| ln Vitro |
In vitro, JMJD1C-IN-1 has been shown to inhibit JMJD1C activity. The compound's effects on tumor Treg cells have been characterized in cell-based assays. The compound demonstrates selectivity for targeting tumor Treg cells without affecting systemic immune homeostasis. Its in vitro activity supports its potential as a cancer immunotherapy agent. The compound's inhibitory activity against JMJD1C has been confirmed in enzymatic and cellular assays.
|
| ln Vivo |
In vivo, JMJD1C-IN-1 demonstrates dose-dependent antitumor efficacy in multiple mouse tumor models. The compound has shown efficacy in MCA205 fibrosarcoma, B16-F10 melanoma, LLC lung cancer, Hepa1-6 hepatocellular carcinoma, and CT26 colorectal cancer models. Its oral activity makes it suitable for convenient administration. The compound targets tumor Treg cells without affecting systemic immune homeostasis, suggesting a favorable therapeutic index.
|
| Enzyme Assay |
In vitro enzyme assays for JMJD1C-IN-1 involve measuring JMJD1C histone demethylase activity. The enzyme is incubated with histone substrate and the compound at various concentrations. Demethylation activity is measured by detecting the release of formaldehyde or by using antibody-based detection of methylated histone marks. IC50 values are calculated from dose-response curves. Selectivity is assessed by testing the compound against other histone demethylases or related enzymes.
|
| Cell Assay |
In vitro cellular assays for JMJD1C-IN-1 involve treating tumor Treg cells or other relevant cell lines with the compound. JMJD1C inhibition is assessed by measuring histone H3K9 methylation levels by Western blotting. Cell viability and proliferation are measured using standard assays. The compound's effects on Treg cell function and immune suppression are evaluated using co-culture assays with effector T cells. The compound's selectivity for tumor Treg cells over systemic Treg cells is assessed in appropriate cell models.
|
| Animal Protocol |
In vivo animal studies for JMJD1C-IN-1 involve administration to tumor-bearing mouse models. The compound is administered orally, and tumor growth is monitored by caliper measurement. Tumor tissues are collected for analysis of JMJD1C inhibition, histone methylation, and immune cell infiltration. The compound's effects on Treg cells in the tumor microenvironment versus systemic Treg cells are evaluated by flow cytometry. Dose-response studies assess antitumor efficacy at various dose levels.
|
| ADME/Pharmacokinetics |
JMJD1C-IN-1 is orally active, making it suitable for convenient administration. The compound's pharmacokinetic properties are consistent with oral bioavailability. Specific pharmacokinetic parameters such as half-life, Cmax, AUC, and protein binding have not been detailed in the available literature. As a small molecule inhibitor, the compound is expected to have reasonable tissue distribution. Further pharmacokinetic studies are needed to fully characterize its ADME properties.
|
| Toxicity/Toxicokinetics |
Toxicological data for JMJD1C-IN-1 are limited. The compound's selectivity for targeting tumor Treg cells without affecting systemic immune homeostasis suggests a favorable safety profile. However, comprehensive toxicological assessments have not been reported. Standard toxicological evaluations would include acute and repeat-dose toxicity studies, genotoxicity, and safety pharmacology assessments. The compound is intended for research use and is not approved for clinical use.
|
| References | |
| Additional Infomation |
JMJD1C-IN-1 is an orally active inhibitor of JMJD1C, a histone demethylase involved in epigenetic regulation. It targets tumor Treg cells without affecting systemic immune homeostasis. The compound demonstrates dose-dependent antitumor efficacy in multiple mouse tumor models. JMJD1C-IN-1 is a promising research tool for cancer immunotherapy and is not approved for clinical use. Further studies are needed to evaluate its therapeutic potential.
|
| Molecular Formula |
C16H15NO4S
|
|---|---|
| Molecular Weight |
317.36
|
| Exact Mass |
317.072
|
| CAS # |
861224-48-8
|
| PubChem CID |
12182298
|
| Appearance |
White to light yellow solid powder
|
| Hydrogen Bond Donor Count |
1
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
536
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CSC2=C(CC(C(=O)N21)CC(=O)O)C(=O)C3=CC=CC=C3
|
| InChi Key |
DZLRINQZFUBGSQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H15NO4S/c18-13(19)9-11-8-12(14(20)10-4-2-1-3-5-10)16-17(15(11)21)6-7-22-16/h1-5,11H,6-9H2,(H,18,19)
|
| Chemical Name |
2-(8-benzoyl-5-oxo-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl)acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
Typically soluble in DMSO (e.g. 10 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1510 mL | 15.7550 mL | 31.5100 mL | |
| 5 mM | 0.6302 mL | 3.1510 mL | 6.3020 mL | |
| 10 mM | 0.3151 mL | 1.5755 mL | 3.1510 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
